/* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*- * * * This source code is part of * * G R O M A C S * * GROningen MAchine for Chemical Simulations * * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. * Copyright (c) 1991-2000, University of Groningen, The Netherlands. * Copyright (c) 2001-2012, The GROMACS development team, * check out http://www.gromacs.org for more information. * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU General Public License * as published by the Free Software Foundation; either version 2 * of the License, or (at your option) any later version. * * If you want to redistribute modifications, please consider that * scientific software is very special. Version control is crucial - * bugs must be traceable. We will be happy to consider code for * inclusion in the official distribution, but derived work must not * be called official GROMACS. Details are found in the README & COPYING * files - if they are missing, get the official version at www.gromacs.org. * * To help us fund GROMACS development, we humbly ask that you cite * the papers on the package - you can find them in the top README file. * * For more info, check our website at http://www.gromacs.org * * And Hey: * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon */ /*! \file * This header has the sole purpose of generating kernels for the supported * electrostatics types: cut-off, reaction-field, Ewald, and tabulated Ewald. * * The Ewald kernels have twin-range cut-off versions with rcoul != rvdw which * require an extra distance check to enable PP-PME load balancing * (otherwise, by default rcoul == rvdw). * * NOTE: No include fence as it is meant to be included multiple times. */ /* Analytical plain cut-off kernels */ #define EL_CUTOFF #define NB_KERNEL_FUNC_NAME(x,...) x##_cutoff##__VA_ARGS__ #include "nbnxn_cuda_kernel_legacy.cuh" #include "nbnxn_cuda_kernel.cuh" #undef EL_CUTOFF #undef NB_KERNEL_FUNC_NAME /* Analytical reaction-field kernels */ #define EL_RF #define NB_KERNEL_FUNC_NAME(x,...) x##_rf##__VA_ARGS__ #include "nbnxn_cuda_kernel_legacy.cuh" #include "nbnxn_cuda_kernel.cuh" #undef EL_RF #undef NB_KERNEL_FUNC_NAME /* Analytical Ewald interaction kernels * NOTE: no legacy kernels with analytical Ewald. */ #define EL_EWALD_ANA #define NB_KERNEL_FUNC_NAME(x,...) x##_ewald##__VA_ARGS__ #include "nbnxn_cuda_kernel.cuh" #undef EL_EWALD_ANA #undef NB_KERNEL_FUNC_NAME /* Analytical Ewald interaction kernels with twin-range cut-off * NOTE: no legacy kernels with analytical Ewald. */ #define EL_EWALD_ANA #define VDW_CUTOFF_CHECK #define NB_KERNEL_FUNC_NAME(x,...) x##_ewald_twin##__VA_ARGS__ #include "nbnxn_cuda_kernel.cuh" #undef EL_EWALD_ANA #undef VDW_CUTOFF_CHECK #undef NB_KERNEL_FUNC_NAME /* Tabulated Ewald interaction kernels */ #define EL_EWALD_TAB #define NB_KERNEL_FUNC_NAME(x,...) x##_ewald_tab##__VA_ARGS__ #include "nbnxn_cuda_kernel_legacy.cuh" #include "nbnxn_cuda_kernel.cuh" #undef EL_EWALD_TAB #undef NB_KERNEL_FUNC_NAME /* Tabulated Ewald interaction kernels with twin-range cut-off */ #define EL_EWALD_TAB #define VDW_CUTOFF_CHECK #define NB_KERNEL_FUNC_NAME(x,...) x##_ewald_tab_twin##__VA_ARGS__ #include "nbnxn_cuda_kernel_legacy.cuh" #include "nbnxn_cuda_kernel.cuh" #undef EL_EWALD_TAB #undef VDW_CUTOFF_CHECK #undef NB_KERNEL_FUNC_NAME